3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide

C27H36N2O7 — CID 123458063

IUPAC3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
SMILESCCCOC1C(Cc2ccc(OC)cc2)CCCC(NC(=O)c2nccc(OC)c2O)C(=O)OC1C
InChIInChI=1S/C27H36N2O7/c1-5-15-35-25-17(2)36-27(32)21(29-26(31)23-24(30)22(34-4)13-14-28-23)8-6-7-19(25)16-18-9-11-20(33-3)12-10-18/h9-14,17,19,21,25,30H,5-8,15-16H2,1-4H3,(H,29,31)
InChIKeyRRZREVBJKLXLDP-UHFFFAOYSA-N
MW500.59 g/mol
LogP3.67
Rot. Bonds9

About 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide (PubChem CID 123458063) has the molecular formula C27H36N2O7 and a molecular weight of 500.59 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
PubChem CID123458063
Molecular FormulaC27H36N2O7
Molecular Weight500.59 g/mol
Exact Mass500.25
IUPAC Name3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
SMILESCCCOC1C(Cc2ccc(OC)cc2)CCCC(NC(=O)c2nccc(OC)c2O)C(=O)OC1C
InChIInChI=1S/C27H36N2O7/c1-5-15-35-25-17(2)36-27(32)21(29-26(31)23-24(30)22(34-4)13-14-28-23)8-6-7-19(25)16-18-9-11-20(33-3)12-10-18/h9-14,17,19,21,25,30H,5-8,15-16H2,1-4H3,(H,29,31)
InChIKeyRRZREVBJKLXLDP-UHFFFAOYSA-N
XLogP3.67
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.59
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,7R,8R,9S)-7-benzyl-8-cyclopentyl-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118501745
N-[(3S,7R,8R,9S)-8-benzyl-7-[(4-chlorophenyl)methyl]-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118501749
N-[8-benzyl-7-[[4-[[4-benzyl-8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-3-methyl-9-oxooxonan-2-yl]methyl]phenyl]methyl]-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123657123
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-4-(3-methylbutyl)-9-oxooxonan-3-yl] cyclopentanecarboxylate
CID 123604198
[2-[[7-(cyclopentylmethyl)-9-methyl-2-oxo-8-propoxyoxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl acetate
CID 123701974
N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123512707
[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-8-[(4-methoxyphenyl)methyl]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
CID 123841163
1-fluoro-4-methylbenzene;3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-7-propoxyoxonan-3-yl]pyridine-2-carboxamide
CID 144877321
3-hydroxy-4-methoxy-N-[9-methyl-7-(2-methylpropoxy)-2-oxo-8-phenoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123654158
N-[(3S,8R,9S)-8-benzyl-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130196633
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130205259

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide (CID 123458063) is 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide is CCCOC1C(Cc2ccc(OC)cc2)CCCC(NC(=O)c2nccc(OC)c2O)C(=O)OC1C.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide?
The InChIKey is RRZREVBJKLXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O7/c1-5-15-35-25-17(2)36-27(32)21(29-26(31)23-24(30)22(34-4)13-14-28-23)8-6-7-19(25)16-18-9-11-20(33-3)12-10-18/h9-14,17,19,21,25,30H,5-8,15-16H2,1-4H3,(H,29,31).
What are the key properties of 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide has a molecular weight of 500.59 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123458063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).